SCHEMBL9264608

SCHEMBL9264608

CCCCCC(CCC)CCCCCC=O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
FAAH O00519 2/20 0.59
TRPV1 Q8NER1 2/20 0.59
LMNA P02545 1/20 0.45
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH4 P08319 2/20 0.42
ADH7 P40394 2/20 0.42
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TOP1 P11387 2/20 0.37
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
GAPDH P04406 1/20 0.37
MAPT P10636 1/20 0.37
GPR84 Q9NQS5 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9261321 0.98 TSHR (0.62) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL9260986 0.96 TSHR (0.60) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL22602593 0.96 TSHR (0.73) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL11685602 0.94 TSHR (0.56) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL17750778 0.94 TSHR (0.56) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL29003474 0.92 TSHR (0.54) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL9266182 0.92 TSHR (0.54) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL1035441 0.91 TSHR (0.65) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL25907690 0.91 TSHR (0.65) TSHRFAAHTRPV1LMNAADH1B
SCHEMBL9425832 0.91 TSHR (0.65) TSHRFAAHTRPV1LMNAADH1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US claimed
US-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 US disclosed
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US disclosed
EP-0350315-B1 RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS SANKYO COMPANY LIMITED (JP) 1993-06-16 EP disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed
US-4020109-A POLYMERIZATION AND ALDOL CONDENSATION INHIBITION UNION OIL COMPANY OF CALIFORNIA (US) 1977-04-26 US disclosed